ChemSpider 2D Image | (2S)-2-[(Carbamoyloxy)methyl]-2-methylpentyl butylcarbamate | C13H26N2O4

(2S)-2-[(Carbamoyloxy)methyl]-2-methylpentyl butylcarbamate

  • Molecular FormulaC13H26N2O4
  • Average mass274.357 Da
  • Monoisotopic mass274.189270 Da
  • ChemSpider ID34996413

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-[(Carbamoyloxy)methyl]-2-methylpentyl butylcarbamate [ACD/IUPAC Name]
(2S)-2-[(Carbamoyloxy)methyl]-2-methylpentyl-butylcarbamat [German] [ACD/IUPAC Name]
Butylcarbamate de (2S)-2-[(carbamoyloxy)méthyl]-2-méthylpentyle [French] [ACD/IUPAC Name]
Carbamic acid, N-butyl-, (2S)-2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester [ACD/Index Name]
224-254-9 [EINECS]
4268-36-4 [RN]
tybamate [BAN] [INN] [USAN] [Wiki]
UNII-3875LLL8M8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 441.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.5±24.0 °C
Index of Refraction: 1.467
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.26
ACD/KOC (pH 5.5): 481.44
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.26
ACD/KOC (pH 7.4): 481.43
Polar Surface Area: 91 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 262.6±3.0 cm3

Click to predict properties on the Chemicalize site


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